structure of 5-Isopropyl-3-isoxazolol

5-Isopropyl-3-isoxazolol

CAS No.: 10004-47-4
M. Wt: 127.14100
M. Fa: C6H9NO2
InChI Key: WKKVFNUVMXLZDZ-UHFFFAOYSA-N

Names and Identifiers of 5-Isopropyl-3-isoxazolol

CAS Number

10004-47-4

EC Number

828-226-2

IUPAC Name

5-propan-2-yl-1,2-oxazol-3-one

InChI

InChI=1S/C6H9NO2/c1-4(2)5-3-6(8)7-9-5/h3-4H,1-2H3,(H,7,8)

InChIKey

WKKVFNUVMXLZDZ-UHFFFAOYSA-N

Canonical SMILES

CC(C)C1=CC(=O)NO1

Physical and chemical properties of 5-Isopropyl-3-isoxazolol

Exact Mass

127.06300

LogP

1.50360

Molecular Formula

C6H9NO2

Molecular Weight

127.14100

PSA

46.26000

Safety Information of 5-Isopropyl-3-isoxazolol

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 5-Isopropyl-3-isoxazolol

5-Isopropyl-3-isoxazolol has diverse applications:

  • Pharmaceuticals: Due to its biological activity, it is being investigated as a potential drug candidate.
  • Agricultural Chemicals: Its antimicrobial properties make it suitable for use in agrochemicals.
  • Material Science: The compound's unique structure allows it to be incorporated into polymeric materials for enhanced performance characteristics.

Interaction Studies of 5-Isopropyl-3-isoxazolol

Interaction studies involving 5-Isopropyl-3-isoxazolol focus on its binding affinity with various biological targets:

  • Protein Binding: Investigations into how the compound interacts with proteins reveal insights into its mechanism of action.
  • Receptor Interaction: Studies on receptor binding affinities help assess its potential therapeutic effects.

Biological Activity of 5-Isopropyl-3-isoxazolol

Research indicates that 5-Isopropyl-3-isoxazolol exhibits significant biological activities:

  • Antimicrobial Properties: The compound has shown effectiveness against various bacterial strains.
  • Neuroprotective Effects: Studies suggest potential neuroprotective properties, making it a candidate for treating neurodegenerative diseases.
  • Anti-inflammatory Activity: It may also possess anti-inflammatory effects, which could be beneficial in treating inflammatory disorders.